aiidalab / aiidalab/aiidalab-qe

Polish the Workflow setting step

Abierto
#245 9 comentarios 0 reacciones 1 asignado Reclamado por @unkcpz Ver en GitHub
enhancement
Lenguaje dominante
Python
Estrellas
33
Forks
25
Merge medio
6 h 7 min
PR fusionados (30 d)
8

Descripción

In live testing meeting with Nicola and Michele, we got some feedback on how to improve the workflow setting step with more clear instruction on how to lead user to set the workflow setting to do the correct calculations.

- [ ] ~~Ferromagnetic calculation should always run with the metallic settings. (occupations=fixed will not play nicely with setting a starting magnetization)~~
- [ ] ~~Change selection to "Insulator", "Non-magnetic metal", "Ferromagnetic metal"; Also add a "Electronic structure" header. (Check the https://www.materialscloud.org/work/tools/qeinputgenerator. Could use the same label for the settings.)~~
- [x] #294
- [x] #293
- [x] #264
- [ ] (Copy from #102) Add feature to label each QeAppWorkChain, so they can be more easily found in the dropdown. #87

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